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Home > Boronic Acids > 1436431-16-1
1436431-16-1 | 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (2-fluoro-4-(methylthio)phenyl)boronate
CAS No: 1436431-16-1 Catalog No: AG01DDIH MDL No:
Product Description
Catalog Number:
AG01DDIH
Chemical Name:
3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (2-fluoro-4-(methylthio)phenyl)boronate
CAS Number:
1436431-16-1
Molecular Formula:
C13H20BFO3S
Molecular Weight:
286.1705
IUPAC Name:
2-(2-fluoro-4-methylsulfanylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H18BFO2S/c1-12(2)13(3,4)17-14(16-12)10-7-6-9(18-5)8-11(10)15/h6-8H,1-5H3
InChI Key:
LZEUNWHRPJFBPN-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)F)B(OC(C(O)(C)C)(C)C)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.153g/mol
Monoisotopic Mass:
268.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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